Information card for entry 7043762

Structure parameters

• Common name: F3C56Cl
• Formula: C52 H48 Fe5 O2 Si2
• Calculated formula: C52 H48 Fe5 O2 Si2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)[Si]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)O[Si]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)OC=C
• Title of publication: Formation of Unexpected Silicon- and Disiloxane-Bridged Multiferrocenyl Derivatives Bearing Si-O-CH=CH2 and Si-(CH2)2C(CH3)3 Substituents via Cleavage of Tetrahydrofuran and Trapping of its Ring Fragments
• Authors of publication: Bruña, Sonia; Gonzalez Vadillo, Ana Maria; Ferrández, Marta; Perles, Josefina; Montero-Campillo, M. Merced; Otilia, Mó; CUADRADO, ISABEL
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.0387 ± 0.0015 Å
• b: 11.4508 ± 0.0014 Å
• c: 17.549 ± 0.002 Å
• α: 92.68 ± 0.005°
• β: 90.194 ± 0.005°
• γ: 90.255 ± 0.005°
• Cell volume: 2215.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No